SCHEMBL7488103

SCHEMBL7488103

CCCCN1CCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.52
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.39
CHRM1 P11229 1/20 0.39
TP53 P04637 1/20 0.37
CHRM3 P20309 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7490771 0.97 ADORA1 (0.52) ADORA1CYP2D6CYP2C9MAPK1KDM4E
SCHEMBL7485492 0.96 ADORA1 (0.51) ADORA1CYP2D6CYP2C9MAPK1EGFR
SCHEMBL7485481 0.94 ADORA1 (0.52) ADORA1MAPK1EGFRIGF1RTP53
SCHEMBL7488376 0.91 ADORA1 (0.51) ADORA1MAPK1EGFRIGF1RAKT1
SCHEMBL7487498 0.88 ADORA1 (0.53) ADORA1MAPK1EGFRIGF1RAKT1
Hydrochloric Acid SCHEMBL7541956 0.87 ADORA1 (0.52) ADORA1MAPK1EGFRIGF1RCHRM1
SCHEMBL7495433 0.86 ADORA1 (0.50) ADORA1MAPK1IGF1RAKT1
SCHEMBL7496245 0.83 ADORA1 (0.48) ADORA1MAPK1EGFRIGF1RAKT1
SCHEMBL7668541 0.82 ADORA1 (0.53) ADORA1MAPK1EGFRIGF1RAKT1
SCHEMBL7487132 0.82 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925299-B1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-25 EP disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 US disclosed